SCHEMBL20159899

SCHEMBL20159899

Cc1cc(N)c2nnc(C)n2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
BRD4 O60885 4/20 0.35
ATAD2 Q6PL18 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CDK2 P24941 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16244413 0.81 RXFP1 (0.45) RXFP1L3MBTL1TSHRHSD17B10MAPK1
SCHEMBL20160388 0.81 RXFP1 (0.38) RXFP1L3MBTL1TSHRHSD17B10MAPK1
SCHEMBL16259897 0.79 KDM4E (0.47) RXFP1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL16556413 0.73 BRD4 (0.51) RXFP1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL20160352 0.73 CYP1A2 (0.36) RXFP1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL16271636 0.72 RXFP1 (0.40) RXFP1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL20159897 0.69 BRD4 (0.39) RXFP1L3MBTL1TSHRHSD17B10MAPK1
SCHEMBL18521190 0.68 RXFP1 (0.36) RXFP1L3MBTL1TSHRHSD17B10MAPK1
SCHEMBL24225926 0.65 TGFBR1 (0.38) RXFP1L3MBTL1KDM4ERAB9AALDH1A1
SCHEMBL15711661 0.64 RXFP1 (0.47) RXFP1L3MBTL1KDM4ETSHRHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178235-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 WO disclosed
WO-2023178234-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 WO disclosed
WO-2018130227-A1 AROMATIC RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE 山东罗欣药业集团股份有限公司 2018-07-19 WO disclosed
WO-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed